Quantum Dot Superlattice Enabled Rational Design in Optoelectronics and Hydrogen Generation.

摘要

For the first time, the excitonic properties of realistic CdS and CdTe tetrahedral clusters have been investigated by first principle density functional theory method with quasi-particle corrections and many body electron-hole interactions. Specific aims of the research included characterization of the confinement effects on band gap and the exciton binding strength with an ultimate goal to address charge relaxation in optoelectronic devices. The computed optical transition energy is in excellent agreement with the measured value and salient features involving the quantum confinement effect are clearly revealed. This project provided deeper understanding of the microscopic picture of excitation, confinement, and associated charge relaxation relevant to optoelectronic devices.